N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine

C10H13F2N5 — CID 122167215

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C10H13F2N5/c1-7-9(6-16(2)15-7)13-5-8-3-4-14-17(8)10(11)12/h3-4,6,10,13H,5H2,1-2H3
InChIKeyLVLJHSDAZNGWTO-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.93
Rot. Bonds4

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 122167215) has the molecular formula C10H13F2N5 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
PubChem CID122167215
Molecular FormulaC10H13F2N5
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCc1ccnn1C(F)F
InChIInChI=1S/C10H13F2N5/c1-7-9(6-16(2)15-7)13-5-8-3-4-14-17(8)10(11)12/h3-4,6,10,13H,5H2,1-2H3
InChIKeyLVLJHSDAZNGWTO-UHFFFAOYSA-N
XLogP1.93
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine (CID 122167215) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCc1ccnn1C(F)F.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is LVLJHSDAZNGWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N5/c1-7-9(6-16(2)15-7)13-5-8-3-4-14-17(8)10(11)12/h3-4,6,10,13H,5H2,1-2H3.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 241.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 122167215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).